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Pull requests: mosdef-hub/mbuild
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Add a method to create Compounds from coxeter shape objects
2.0
Additions for mBuild 2.0
#1353
opened Jul 28, 2026 by
chrisjonesBSU
Contributor
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3 of 4 tasks
Add back-mapping and coarse-graining modules using integraiton with CGSmiles
2.0
Additions for mBuild 2.0
#1352
opened Jul 28, 2026 by
chrisjonesBSU
Contributor
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4 tasks done
Refactor simulation.py for consistent Hoomd and OpenMM Simulation classes
#1350
opened Jul 24, 2026 by
CalCraven
Contributor
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3 of 7 tasks
Crosslinking and Energy Minimize improvements
2.0
Additions for mBuild 2.0
do not merge
#1324
opened May 6, 2026 by
CalCraven
Contributor
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2 of 4 tasks
Add bounds to Additions for mBuild 2.0
do not merge
sample_candidates in Constraints classes.
2.0
#1315
opened Mar 20, 2026 by
chrisjonesBSU
Contributor
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4 tasks
create visualization method for path objects
2.0
Additions for mBuild 2.0
#1307
opened Feb 27, 2026 by
CalCraven
Contributor
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4 tasks
Specify individual axes to constrain within PACKMOL in packing.py
enhancement
#734
opened May 18, 2020 by
chrisjonesBSU
Contributor
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3 tasks done
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